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Phenyl N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-p-phenylphosphonamidoate

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Phenyl N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-p-phenylphosphonamidoate
SpectraBase Compound ID IdnjF4DV9U5
InChI InChI=1S/C23H22N3O3P/c1-18-22(23(27)26(25(18)2)19-12-6-3-7-13-19)24-30(28,21-16-10-5-11-17-21)29-20-14-8-4-9-15-20/h3-17H,1-2H3,(H,24,28)
InChIKey YAXIPULOTCLIGF-UHFFFAOYSA-N
Mol Weight 419.42 g/mol
Molecular Formula C23H22N3O3P
Exact Mass 419.139879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ik0bYYD2dvz
Name Phenyl N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-p-phenylphosphonamidoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.139878575 u
Formula C23H22N3O3P
InChI InChI=1S/C23H22N3O3P/c1-18-22(23(27)26(25(18)2)19-12-6-3-7-13-19)24-30(28,21-16-10-5-11-17-21)29-20-14-8-4-9-15-20/h3-17H,1-2H3,(H,24,28)
InChIKey YAXIPULOTCLIGF-UHFFFAOYSA-N
Molecular Weight 419.421 g/mol
SMILES N(P(OC1=CC=CC=C1)(=O)C=1C=CC=CC1)C=1C(N(C=2C=CC=CC2)N(C1C)C)=O